N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

C17H19BrFN — CID 43629874

IUPACN-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C17H19BrFN/c1-3-10-20-17(13-4-7-15(19)8-5-13)16-9-6-14(18)11-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyXTSFMMUFUACBPA-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.99
Rot. Bonds5

About N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43629874) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43629874
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(Br)cc1C
InChIInChI=1S/C17H19BrFN/c1-3-10-20-17(13-4-7-15(19)8-5-13)16-9-6-14(18)11-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyXTSFMMUFUACBPA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(4-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 115368935
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(4-bromo-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854745
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 43629874) is N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccc(Br)cc1C.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is XTSFMMUFUACBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-10-20-17(13-4-7-15(19)8-5-13)16-9-6-14(18)11-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43629874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).